(e,e)-2,6-Dimethyl-3,5,7-octatrien-2-ol
PubChem CID: 5363695
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| Compound Synonyms | HYBLHNGOEIJQDA-CDJQDVQCSA-N, (e,e)-2,6-dimethyl-3,5,7-octatrien-2-ol, 2,6-Dimethyl-3,5,7-octatriene-2-ol, ,E,E-, (3E,5E)-2,6-Dimethyl-3,5,7-octatrien-2-ol # |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 185.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E,5E)-2,6-dimethylocta-3,5,7-trien-2-ol |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Is Pains | False |
| Molecular Formula | C10H16O |
| Prediction Swissadme | 1.0 |
| Inchi Key | HYBLHNGOEIJQDA-CDJQDVQCSA-N |
| Fcsp3 | 0.4 |
| Rotatable Bond Count | 3.0 |
| Compound Name | (e,e)-2,6-Dimethyl-3,5,7-octatrien-2-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -2.2805694 |
| Inchi | InChI=1S/C10H16O/c1-5-9(2)7-6-8-10(3,4)11/h5-8,11H,1H2,2-4H3/b8-6+,9-7+ |
| Smiles | C/C(=C\C=C\C(C)(C)O)/C=C |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients